bis(2-hydroxyethyl)-[(2S)-3-(3-methyl-4-propan-2-yl-phenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: bis(2-hydroxyethyl)-[(2S)-3-(3-methyl-4-propan-2-yl-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: bis(2-hydroxyethyl)-[(2S)-2-hydroxy-3-(4-isopropyl-3-methyl-phenoxy)propyl]ammonium CAS Name: bis(2-hydroxyethyl)-[(2S)-2-hydroxy-3-(3-methyl-4-propan-2-ylphenoxy)propyl]ammonium IUPAC Name: bis(2-hydroxyethyl)-[(2S)-2-hydroxy-3-(3-methyl-4-propan-2-ylphenoxy)propyl]azanium Traditional Name: bis(2-hydroxyethyl)-[(2S)-2-hydroxy-3-(4-isopropyl-3-methyl-phenoxy)propyl]ammonium Formula: C17H30NO4+ MolecularWeight: 312.4244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(C[NH+](CCO)CCO)O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC[C@H](C[NH+](CCO)CCO)O)C(C)C

InChI

InChI=1S/C17H29NO4/c1-13(2)17-5-4-16(10-14(17)3)22-12-15(21)11-18(6-8-19)7-9-20/h4-5,10,13,15,19-21H,6-9,11-12H2,1-3H3/p+1/t15-/m0/s1